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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Amphiregulin'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amphiregulin


(Homo sapiens)
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 350n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
In vitro amphiregulin shedding inhibition


J Med Chem 45: 930-6 (2002)

More data for this
Ligand-Target Pair
Amphiregulin


(Homo sapiens)
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 470n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
In vitro amphiregulin shedding inhibition


J Med Chem 45: 930-6 (2002)

More data for this
Ligand-Target Pair
Amphiregulin


(Homo sapiens)
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 950n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
In vitro amphiregulin shedding inhibition


J Med Chem 45: 930-6 (2002)

More data for this
Ligand-Target Pair
Amphiregulin


(Homo sapiens)
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 970n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
In vitro amphiregulin shedding inhibition


J Med Chem 45: 930-6 (2002)

More data for this
Ligand-Target Pair
Amphiregulin


(Homo sapiens)
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
In vitro amphiregulin shedding inhibition


J Med Chem 45: 930-6 (2002)

More data for this
Ligand-Target Pair